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2-[4-(1,2,3-THIADIAZOL-4-YL)PHENYL]ETHANETHIOAMIDE

2-[4-(1,2,3-THIADIAZOL-4-YL)PHENYL]ETHANETHIOAMIDE structure

CAS No:
254429-83-9
Formula:
C10H9N3S2
Chemical Name:
2-[4-(1,2,3-THIADIAZOL-4-YL)PHENYL]ETHANETHIOAMIDE
Synonyms:
2-[4-(1,2,3-THIADIAZOL-4-YL)PHENYL]ETHANETHIOAMIDE;2-[4-(1,2,3-Thiadiazol-4-yl)phenyl]ethanethioamide, 4-[4-(2-Amino-2-thioxoethyl)phenyl]-1,2,3-thiadiazole;2-[4-(1,2,3-Thiadiazol-4-yl)phenyl]thioacetamide;Benzeneethanethioamide, 4-(1,2,3-thiadiazol-4-yl)-

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2-[4-(1,2,3-THIADIAZOL-4-YL)PHENYL]ETHANETHIOAMIDE Basic Attributes

Molecular Weight：

235.33

Exact Mass：

235.02378965

DSSTox ID：

DTXSID80372313

Characteristics

Density：

1.367±0.06 g/cm3

Melting Point：

169 °C

Boiling Point：

437.7±55.0 °C(Predicted)

PKA：

12.89±0.29

Safety Information

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:235.3
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:235.02378965
Monoisotopic Mass:235.02378965
Topological Polar Surface Area:112
Heavy Atom Count:15
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[4-(1,2,3-THIADIAZOL-4-YL)PHENYL]ETHANETHIOAMIDE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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